>compound Cadaverine_Cadaverine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H14N2
#smiles NCCCCCN
#RECORD LC-ESI-QTOF_train_data/PR100024.txt
>charge 1
>ionization [M+H]+
>parentmass 103.12349

>collision 5-60
86.0955 9.232
103.0911 4.598
103.1212 80.61

